SCHEMBL28191706

SCHEMBL28191706

O=C(O)/C=C/c1ccccc1NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.56
▸ FFAR1 O14842 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ AURKA O14965 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ VNN1 O95497 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MLYCD O95822 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ EGFR P00533 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18045769 0.88 RXFP1 (0.54) RXFP1FFAR1FFAR4AURKARPS6KB1
SCHEMBL29608704 0.88 RXFP1 (0.54) RXFP1FFAR1FFAR4AURKARPS6KB1
SCHEMBL18045767 0.88 RXFP1 (0.54) RXFP1FFAR1FFAR4AURKARPS6KB1
SCHEMBL18047218 0.87 RXFP1 (0.53) RXFP1FFAR1FFAR4AURKARPS6KB1
SCHEMBL18047219 0.87 RXFP1 (0.53) RXFP1FFAR1FFAR4AURKARPS6KB1
SCHEMBL18046841 0.80 PDCD1 (0.44) FFAR1
SCHEMBL18046838 0.80 PDCD1 (0.44) FFAR1
SCHEMBL18046941 0.79 VNN1 (0.51) FFAR1VNN1LMNA
SCHEMBL18046942 0.79 VNN1 (0.51) FFAR1VNN1LMNA
SCHEMBL28191712 0.79 FFAR1 (0.43) FFAR1EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531660-A α cinnamide compounds and composition as HDAC8 inhibitor 福马治疗股份有限公司 2018-01-02 — — CN disclosed
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